[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(2-bromophenyl)sulfonylamino]ethanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(2-bromophenyl)sulfonylamino]ethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-[(2-bromophenyl)sulfonylamino]acetate CAS Name: 2-[(2-bromophenyl)sulfonylamino]acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-[(2-bromophenyl)sulfonylamino]acetate Traditional Name: 2-[(2-bromophenyl)sulfonylamino]acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C13H14BrN3O5S MolecularWeight: 404.23636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)S(=O)(=O)NCC(=O)OCC(=O)NCCC#N)Br

Isomeric SMILES

C1=CC=C(C(=C1)S(=O)(=O)NCC(=O)OCC(=O)NCCC#N)Br

InChI

InChI=1S/C13H14BrN3O5S/c14-10-4-1-2-5-11(10)23(20,21)17-8-13(19)22-9-12(18)16-7-3-6-15/h1-2,4-5,17H,3,7-9H2,(H,16,18)